BDBM50320736 (R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxycyclohexylidene)ethylidene)-7a-methyl-octahydro-1H-inden-1-yl)-N-hydroxyheptanamide::CHEMBL1163778

SMILES [#6]-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#6@H]1-[#6]-[#6]-[#6@H]2\[#6](-[#6]-[#6]-[#6][C@]12[#6])=[#6]\[#6]=[#6]-1/[#6]-[#6@@H](-[#8])-[#6]-[#6@H](-[#8])-[#6]-1

InChI Key InChIKey=VQOFDBAMMDVJMI-AHAWINGJSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50320736   

TargetHistone deacetylase 2(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320736((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxyc...)
Affinity DataIC50:  1.65E+4nMAssay Description:Inhibition of HDAC2 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVitamin D3 receptor(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320736((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxyc...)
Affinity DataIC50:  248nMAssay Description:Binding affinity to VDR ligand binding domain by fluorescence polarization competition assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 6(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320736((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxyc...)
Affinity DataIC50:  3.00E+3nMAssay Description:Inhibition of HDAC6 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistone deacetylase 3(Homo sapiens (Human))
Mcgill University

Curated by ChEMBL
LigandPNGBDBM50320736((R)-5-((1R,3aS,7aR,E)-4-(2-((3R,5R)-3,5-Dihydroxyc...)
Affinity DataIC50:  1.45E+4nMAssay Description:Inhibition of HDAC3 after 10 mins by fluorometric assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed